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Formoterol Hemifumarate

CAT: 1568-C16590-200mgSize: 200 mgDry Ice: YesHazardous: No
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CAT#:1568-C16590-200mgSize:200 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
43229-80-7
Synonyms
Eformoterol, CGP 25827A, NSC 299587, YM 08316, Formoterol fumarate
Target
Adrenergic Receptor
Applications
Neuronal Signaling
Smiles
CC (CC1=CC=C (C=C1) OC) NCC (C2=CC (=C (C=C2) O) NC=O) O.CC (CC1=CC=C (C=C1) OC) NCC (C2=CC (=C (C=C2) O) NC=O) O.C (=CC (=O) O) C (=O) O
Molecular Formula
C19H24N2O4.1/2C4H4O4
Additionnal Information
Formoterol Hemifumarate (Eformoterol, CGP 25827A, NSC 299587, YM 08316, Formoterol fumarate) is a potent, selective and long-acting β2-adrenoceptor agonist used in the management of asthma and chronic obstructive pulmonary disease (COPD) .
Storage Conditions
2 years -80 in solvent

Chemical Information

Formoterol Fumarate

Arformoterol fumarate is a fumarate salt prepared from arformoterol by reaction of one molecule of fumaric acid for every two molecules of arformoterol. It has a role as a beta-adrenergic agonist and a bronchodilator agent. It contains an arformoterol(1+). It is an enantiomer of a (S,S)-formoterol fumarate.

CAS Number43229-80-7
PubChem CID53477580
IUPAC Name(E)-but-2-enedioic acid;bis(N-[2-hydroxy-5-[(1R)-1-hydroxy-2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]phenyl]formamide)
Molecular FormulaC42H52N4O12
Molecular Weight804.9
Topological Polar Surface Area256
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count14
Rotatable Bond Count18
Heavy Atom Count58
Formal Charge0
Complexity507
SMILES
C[C@H](CC1=CC=C(C=C1)OC)NC[C@@H](C2=CC(=C(C=C2)O)NC=O)O.C[C@H](CC1=CC=C(C=C1)OC)NC[C@@H](C2=CC(=C(C=C2)O)NC=O)O.C(=C/C(=O)O)\C(=O)O
InChI
InChI=1S/2C19H24N2O4.C4H4O4/c2*1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22;5-3(6)1-2-4(7)8/h2*3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22);1-2H,(H,5,6)(H,7,8)/b;;2-1+/t2*13-,19+;/m11./s1
InChIKey
OBRNDARFFFHCGE-QDSVTUBZSA-N
Chemical Structure
2D Structure
2D structure of Formoterol Fumarate
CAS: 43229-80-7
CID: 53477580
Formula: C42H52N4O12
MW: 804.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight804.9
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count14
Rotatable Bond Count18
Exact Mass804.35817311
Monoisotopic Mass804.35817311
Topological Polar Surface Area256 Ų
Heavy Atom Count58
Formal Charge0
Complexity507
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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